SCHEMBL701818

SCHEMBL701818

O=S(=O)(OCl)OCCCO

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA1 P00915 8/20 0.33
CA2 P00918 8/20 0.33
CA9 Q16790 7/20 0.33
KDM4E B2RXH2 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MMP9 P14780 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 2/20 0.32
CA3 P07451 2/20 0.32
CA4 P22748 2/20 0.32
CA6 P23280 2/20 0.32
CA5A P35218 2/20 0.32
CA7 P43166 2/20 0.32
CA14 Q9ULX7 2/20 0.32
CA5B Q9Y2D0 2/20 0.32

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL710962 0.85 CA1 (0.39) CA1CA2CA9KDM4EUSP2
SCHEMBL17443155 0.80 CA1 (0.36) CA1CA2CA9KDM4EUSP2
SCHEMBL28868509 0.78 CA1 (0.35) CA1CA2CA9KDM4EUSP2
SCHEMBL923072 0.77 CA1 (0.43) CA1CA2CA9KDM4EUSP2
SCHEMBL1707113 0.76 TSHR (0.39) CA1CA2CA9KDM4EUSP2
SCHEMBL701979 0.75
SCHEMBL1896071 0.75 CA1 (0.46) CA1CA2CA9KDM4EUSP2
SCHEMBL28155658 0.74 CA1 (0.56) CA1CA2CA9KDM4EUSP2
SCHEMBL8835614 0.74 USP2 (0.37) CA1CA2CA9KDM4EUSP2
SCHEMBL5285790 0.74 USP2 (0.37) CA1CA2CA9KDM4EUSP2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8268766-B1 Polymeric surfactants based upon alkyl polyglycosides and sorbitan esters SURFATECH CORPORATION (US) 2012-09-18 US disclosed
US-8124575-B1 Polymeric surfactants based upon alkyl polyglycosides and sugars SURFATECH CORPORATION (US) 2012-02-28 US disclosed
US-7507399-B1 Functionalized polymeric surfactants based upon alkyl polyglycosides SURFATECH CORPORATION (US) 2009-03-24 US disclosed
US-7375064-B1 Functionalized polymeric surfactants based upon alkyl polyglycosides SURFATECH CORPORATION (US) 2008-05-20 US disclosed